1-(4-Bromophenyl)-2-phenylethane-1,2-dione
TL;DR: 1-(4-Bromophenyl)-2-phenylethane-1,2-dione (CAS 39229-12-4) is a chemical compound with molecular formula C14H9BrO2 and molecular weight 287.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-phenylethane-1,2-dione
Also Known As: 4-bromobenzil, 1-(4-bromophenyl)-2-phenylethane-1,2-dione, Parethoxycaine methobromide, 4-Bromobibenzyl-alpha,beta-dione, 1-(4-bromophenyl)-2-phenylethanedione
| Molecular Formula | C14H9BrO2 |
|---|---|
| Molecular Weight | 287.98 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.97858 |
| Heavy Atoms | 17 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 39229-12-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)Br |
| InChIKey | REKFALFAMJBFCR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Bromophenyl)-2-phenylethane-1,2-dione (CAS 39229-12-4), with molecular formula C14H9BrO2 and molecular weight 287.98 g/mol. IUPAC: 1-(4-bromophenyl)-2-phenylethane-1,2-dione.
Chemical Property Profile of 1-(4-Bromophenyl)-2-phenylethane-1,2-dione
Property Insights of 1-(4-Bromophenyl)-2-phenylethane-1,2-dione
The XLogP value of 4.1 indicates that 1-(4-Bromophenyl)-2-phenylethane-1,2-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 1-(4-Bromophenyl)-2-phenylethane-1,2-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromophenyl)-2-phenylethane-1,2-dione has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-Bromophenyl)-2-phenylethane-1,2-dione?
The CAS number of 1-(4-Bromophenyl)-2-phenylethane-1,2-dione is 39229-12-4.
What is the molecular formula of 1-(4-Bromophenyl)-2-phenylethane-1,2-dione?
The molecular formula of 1-(4-Bromophenyl)-2-phenylethane-1,2-dione is C14H9BrO2.
What is the molecular weight of 1-(4-Bromophenyl)-2-phenylethane-1,2-dione?
The molecular weight of 1-(4-Bromophenyl)-2-phenylethane-1,2-dione is 287.98 g/mol.
Where can I buy 1-(4-Bromophenyl)-2-phenylethane-1,2-dione?
You can request a quote for 1-(4-Bromophenyl)-2-phenylethane-1,2-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Bromophenyl)-2-phenylethane-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromophenyl)-2-phenylethane-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.